* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    156    244     467
    1     0 S   NP   _N1_     1    28.63666    94.02205   -21.18326
    2     1 S   H    _HN1     2     1.02967    94.69726    41.31708
    3     1 S   H    _H1_     3     1.02833    26.04604   161.40364
    4     1 S   H    _H2_     4     1.02777    91.09939   -67.16950
    5     1 S   CT   _CA1     5     1.50132   136.68507   167.90980
    6     5 S   HC   _HA1     6     1.09577   105.23683    56.10871
    7     5 S   CO3  _C1_     7     1.53814   112.38955   -64.06770
    8     7 S   O2Z  _O11     8     1.26357   115.03130   -43.17416
    9     7 S   O2Z  _O12     9     1.26251   114.92473   135.99692
   10     5 S   CT   _CB1    10     1.53087   107.39953   173.98852
   11    10 S   HC   HB11    11     1.09821   109.33040   -50.86746
   12    10 S   HC   HB12    12     1.09837   110.38755    65.65571
   13    10 S   CT   _CG1    13     1.53019   112.71777  -172.04774
   14    13 S   HC   HG11    14     1.09599   110.27860   -62.27121
   15    13 S   HC   HG12    15     1.09630   110.18485    56.97242
   16    13 S   C    _CD1    16     1.51791   112.18671   177.20460
   17    16 S   O    _OE1    17     1.22738   123.19664   -10.41858
   18    16 S   N    _N2_    18     1.38655   111.69883   170.05122
   19    18 S   H    _HN2    19     1.01579   119.10385     1.77630
   20    18 S   CT1  _CA2    20     1.46245   123.27803  -177.14645
   21    20 S   HC   _HA2    21     1.09741   109.31191   -13.40161
   22    20 S   C    _C2_    22     1.53411   108.53589  -129.16012
   23    22 S   O    _O2_    23     1.23018   122.22786  -146.69343
   24    20 S   CT   _CB2    32     1.53741   111.39370   108.51124
   25    24 S   HC   HB21    33     1.09336   109.07481    57.66363
   26    24 S   HC   HB22    34     1.09441   109.58281   176.35847
   27    22 S   N    _N3_    24     1.38509   113.37752    40.74131
   28    27 S   H    _HN3    25     1.01529   118.88833    -0.62838
   29    24 S   S    _SG2    35     1.82985   111.01881   -64.44928
   30    27 S   CT   _CA3    26     1.45450   123.46287   175.14038
   31    30 S   HC   HA31    27     1.09522   109.24485    24.12219
   32    30 S   HC   HA32    28     1.09496   107.11546   141.12226
   33    29 S   CT   _C10    36     1.92222   103.97938   167.07852
   34    30 S   CO3  _C3_    29     1.52925   113.12353   -99.36629
   35    34 S   O2Z  _O31    30     1.26402   115.40770   -44.44358
   36    34 S   O2Z  _O32    31     1.26356   114.98370   136.50092
   37    33 S   CT   _C9_    37     1.58184    99.18797   160.36584
   38    37 S   HC   _H13    38     1.10268   107.71497   -42.09424
   39    37 S   HC   _H14    39     1.08633   109.58925  -149.06735
   40    33 S   CT   _C11    59     1.58700   109.07185    46.38992
   41    40 S   HC   _H4_    60     1.09857   107.54186    35.96586
   42    33 S   CO   _C22    67     1.57783   103.79152   -74.29614
   43    42 S   HC   _H7_    68     1.09358   107.57671    34.00095
   44    37 S   CT   _C8_    40     1.55460   123.46515    84.91402
   45    44 S   HC   _H3_    41     1.08807   114.32937   -13.79554
   46    40 S   OH   _O39    61     1.43019   110.90003   -79.66863
   47    46 S   HO   _H25    62     0.97238   107.95104   172.06209
   48    42 S   OH   _O38    69     1.41788   114.47254   -81.48840
   49    48 S   HO   _H24    70     0.97232   107.51507   140.81046
   50    44 S   CT   _C17    42     1.55559   112.35014   113.61522
   51    50 S   HC   _H6_    43     1.10203   107.69373    61.42208
   52    44 S   OS   _O34    74     1.46314   105.32243  -132.52400
   53    50 S   CM   _C18    44     1.49903   119.41658  -178.96108
   54    52 S   CO4  _C7_    75     1.36012   118.33432    97.92504
   55    54 S   O    _O33    76     1.22194   126.24421     3.00941
   56    53 S   CO4  _C20    45     1.48579   107.15643   158.16285
   57    56 S   O    _O35    46     1.21717   127.22680   164.35118
   58    53 S   CM   _C19    71     1.33517   132.03866   -18.91283
   59    58 S   HC   _H20    72     1.08258   121.89527    -1.33750
   60    58 S   HC   _H21    73     1.08568   121.43342   178.37069
   61    54 S   CM   _C5_    77     1.48950   109.35850  -177.37207
   62    56 S   OS   _O36    47     1.36780   106.77134   -14.40318
   63    61 S   CM   _C6_    78     1.34145   117.37058   175.58776
   64    63 S   HC   _H11    79     1.08553   120.95774   179.90935
   65    63 S   HC   _H12    80     1.08548   122.45766    -0.29208
   66    61 S   CT   _C4_    81     1.49766   120.10317    -4.62931
   67    66 S   HC   _H8_    82     1.09506   110.55847   -58.69387
   68    66 S   HC   _H9_    83     1.09497   110.60660    61.80925
   69    66 S   HC   _H10    84     1.09536   111.88644  -178.40137
   70    50 S   CT   _C16    48     1.53263   116.81563   -62.63812
   71    70 S   HC   _H5_    49     1.09355   110.19497   -52.73333
   72    70 S   CM   _C15    50     1.50219   112.68878    73.60299
   73    72 S   HC   _H19    51     1.08945   115.36695    53.46741
   74    72 S   CM   _C14    52     1.34728   125.11880  -113.90819
   75    74 S   CT   _C13    53     1.50952   120.92117   159.36597
   76    75 S   HC   _H17    54     1.09795   109.24539    49.22601
   77    75 S   HC   _H18    55     1.09726   110.24841   164.40900
   78    74 S   CT   _C21    63     1.49773   124.42306   -15.21136
   79    78 S   HC   _H22    64     1.09698   107.94181  -124.03824
   80    78 S   HC   _H23    65     1.09180   115.40192    -7.40862
   81    75 S   CT   _C12    56     1.54249   113.89161   -72.45690
   82    81 S   HC   _H15    57     1.09563   109.31633    72.20670
   83    81 S   HC   _H16    58     1.09966   105.67030  -176.00909
   84    78 S   OS   _O37    66     1.41479   110.99715   119.23639
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  21   2   1   1  18   7   6  15   7  11   4  14   6   5   1   3
   1  15   8   7   9   9   3   8   3   4   1   1   7   5   6   2
   1   3   2   1   1   6   3  10   3  10   9   5   4   4   2   1
   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    81    40    41    46    84    42    43    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    50    75    81    82    83    40    41    46    47    78    84    42    43    48    49    52  
   35    36  
   36  
    0  
   38    39    44    45    50    51    53    70    81    40    41    46    84    42    43    48    52    54  
   39    44    45    50    40    42    52  
   44    45    50    40    42    52  
   41    46    47    84    42    43    48    44    74    75    76    77    81    82    83  
   46    47    42    75    81    82    83  
   43    48    49    44    46    74    78    79    80    81    84  
   48    49    78    84  
   45    50    51    53    56    62    70    71    72    58    52    54    55    61  
   50    51    53    70    52    54  
   47    75    81    82    83  
   81  
   49    78    84  
   84  
   51    53    56    57    62    70    71    72    73    74    58    59    60    52    54  
   53    56    62    70    71    72    58    52  
   54    55    61    63    66    53    70  
   56    57    62    70    71    72    58    59    60  
   55    61    63    64    65    66    67    68    69  
   61    63    66  
   57    62    70    71    72    58    59    60  
   62    70    58  
   59    60    62    70  
   60  
    0  
   63    64    65    66    67    68    69  
   70    71    72    73    74  
   64    65    66    67    68    69  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    78  
   72    73    74  
   73    74    75    76    77    81    78    79    80    84  
   74    75    78  
   75    76    77    81    82    83    78    79    80    84  
   76    77    81    82    83    78    79    80    84  
   77    81    82    83    78  
   81    82    83    78  
   79    80    84    81  
   80    84  
   84  
   82    83  
   83  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    42   250.000  1.527
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   268.000  1.529
   44    45   340.000  1.090
   44    50   268.000  1.529
   44    52   320.000  1.410
   50    51   340.000  1.090
   50    53   317.000  1.510
   50    70   268.000  1.529
   53    56   320.000  1.462
   53    58   549.000  1.340
   56    57   570.000  1.229
   56    62   214.000  1.327
   62    70   320.000  1.410
   70    71   340.000  1.090
   70    72   317.000  1.510
   72    73   340.000  1.080
   72    74   549.000  1.340
   74    75   317.000  1.510
   74    78   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    40   268.000  1.529
   40    41   340.000  1.090
   40    46   320.000  1.410
   46    47   553.000  0.945
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    84   320.000  1.410
   84    42   320.000  1.380
   42    43   340.000  1.090
   42    48   380.000  1.407
   48    49   553.000  0.945
   58    59   340.000  1.080
   58    60   340.000  1.080
   52    54   214.000  1.327
   54    55   570.000  1.229
   54    61   320.000  1.462
   61    63   549.000  1.340
   61    66   317.000  1.510
   63    64   340.000  1.080
   63    65   340.000  1.080
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    40    81    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    46    50.00000  109.50000
   33    42    84    90.00000  108.56700
   33    42    43    45.00000  112.01100
   33    42    48    90.00000  110.19100
   37    44    45    37.50000  110.70000
   37    44    50    58.35000  112.70000
   37    44    52    50.00000  109.50000
   39    37    38    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    39    37.50000  110.70000
   44    50    51    37.50000  110.70000
   44    50    53    70.00000  112.02700
   44    50    70    58.35000  112.70000
   44    52    54    83.00000  116.90000
   50    44    45    37.50000  110.70000
   50    53    56    65.00000  116.34900
   50    53    58    70.00000  124.00000
   50    70    62    50.00000  109.50000
   50    70    71    37.50000  110.70000
   50    70    72    70.00000  112.02700
   53    50    51    35.00000  109.50000
   53    56    57    80.00000  123.72100
   53    56    62    90.00000  111.29400
   53    58    59    35.00000  120.00000
   53    58    60    35.00000  120.00000
   56    62    70    83.00000  116.90000
   62    56    57    83.00000  123.40000
   62    70    71    35.00000  109.50000
   62    70    72    85.00000  110.90400
   70    50    51    37.50000  110.70000
   70    50    53    70.00000  112.02700
   70    72    73    35.00000  117.00000
   70    72    74    70.00000  124.00000
   72    70    71    35.00000  109.50000
   72    74    75    70.00000  124.00000
   72    74    78    70.00000  124.00000
   74    72    73    35.00000  120.00000
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    81    70.00000  112.02700
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    84    85.00000  110.90400
   75    81    82    37.50000  110.70000
   75    81    83    37.50000  110.70000
   75    81    40    58.35000  112.70000
   77    75    76    33.00000  107.80000
   81    75    76    37.50000  110.70000
   81    75    77    37.50000  110.70000
   81    40    41    37.50000  110.70000
   81    40    46    50.00000  109.50000
   83    81    82    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    81    82    37.50000  110.70000
   40    81    83    37.50000  110.70000
   40    46    47    55.00000  108.50000
   46    40    41    35.00000  109.50000
   78    74    75    65.00000  117.92700
   78    84    42    60.00000  109.50000
   80    78    79    33.00000  107.80000
   84    78    79    35.00000  109.50000
   84    78    80    35.00000  109.50000
   84    42    43    35.00000  109.50000
   84    42    48   110.00000  112.08000
   42    33    37    75.00000  109.43000
   42    33    40    75.00000  109.43000
   42    48    49    70.00000  107.92000
   48    42    43    60.00000  108.02500
   58    53    56    65.00000  118.96000
   60    58    59    35.00000  117.00000
   52    44    45    35.00000  109.50000
   52    44    50    50.00000  109.50000
   52    54    55    83.00000  123.40000
   52    54    61    90.00000  111.29400
   54    61    63    65.00000  118.96000
   54    61    66    65.00000  116.34900
   61    54    55    80.00000  123.72100
   61    63    64    35.00000  120.00000
   61    63    65    35.00000  120.00000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    69    35.00000  109.50000
   65    63    64    35.00000  117.00000
   66    61    63    70.00000  124.00000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    40    81   0.44750  1.0 1.0
   29    33    40    81  -0.17800 -1.0 2.0
   29    33    40    81   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   29    33    42    84   0.56750  1.0 1.0
   29    33    42    84  -0.07550 -1.0 2.0
   29    33    42    84   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    48   0.56750  1.0 1.0
   29    33    42    48  -0.07550 -1.0 2.0
   29    33    42    48   0.20000  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    37    44    50   0.56750  1.0 1.0
   33    37    44    50  -0.07550 -1.0 2.0
   33    37    44    50   0.20000  1.0 3.0
   33    37    44    52   0.62750  1.0 1.0
   33    37    44    52  -0.30950 -1.0 2.0
   33    37    44    52   0.27300  1.0 3.0
   33    40    46    47  -0.11600  1.0 1.0
   33    40    46    47  -0.09450 -1.0 2.0
   33    40    46    47   0.21250  1.0 3.0
   33    42    48    49  -0.11600  1.0 1.0
   33    42    48    49  -0.09450 -1.0 2.0
   33    42    48    49   0.21250  1.0 3.0
   37    33    40    81   0.56750  1.0 1.0
   37    33    40    81  -0.07550 -1.0 2.0
   37    33    40    81   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    46   0.86500  1.0 1.0
   37    33    40    46  -0.17500 -1.0 2.0
   37    33    40    46   0.20800  1.0 3.0
   37    33    42    84   0.62750  1.0 1.0
   37    33    42    84  -0.30950 -1.0 2.0
   37    33    42    84   0.27300  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    48   0.86500  1.0 1.0
   37    33    42    48  -0.17500 -1.0 2.0
   37    33    42    48   0.20800  1.0 3.0
   37    44    50    51   0.15000  1.0 3.0
   37    44    50    53   0.34400  1.0 1.0
   37    44    50    53   0.09450 -1.0 2.0
   37    44    50    53   0.11100  1.0 3.0
   37    44    50    70   0.56750  1.0 1.0
   37    44    50    70  -0.07550 -1.0 2.0
   37    44    50    70   0.20000  1.0 3.0
   37    44    52    54  -0.25900  1.0 1.0
   37    44    52    54  -0.47000 -1.0 2.0
   37    44    52    54   0.11750  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   38    37    44    50   0.15000  1.0 3.0
   38    37    44    52   0.23400  1.0 3.0
   39    37    44    45   0.15000  1.0 3.0
   39    37    44    50   0.15000  1.0 3.0
   39    37    44    52   0.23400  1.0 3.0
   44    50    53    56   0.09700  1.0 1.0
   44    50    53    56   0.15600 -1.0 2.0
   44    50    53    56  -0.50800  1.0 3.0
   44    50    53    58   0.09850  1.0 1.0
   44    50    53    58   0.15250 -1.0 2.0
   44    50    53    58  -0.50650  1.0 3.0
   44    50    70    62   0.62750  1.0 1.0
   44    50    70    62  -0.30950 -1.0 2.0
   44    50    70    62   0.27300  1.0 3.0
   44    50    70    71   0.15000  1.0 3.0
   44    50    70    72   0.34400  1.0 1.0
   44    50    70    72   0.09450 -1.0 2.0
   44    50    70    72   0.11100  1.0 3.0
   44    52    54    55   3.00000 -1.0 2.0
   44    52    54    61   2.00000 -1.0 2.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    53   0.15000  1.0 3.0
   45    44    50    70   0.15000  1.0 3.0
   45    44    52    54   0.08050  1.0 3.0
   50    44    52    54  -0.25900  1.0 1.0
   50    44    52    54  -0.47000 -1.0 2.0
   50    44    52    54   0.11750  1.0 3.0
   50    53    56    57  -0.64400  1.0 1.0
   50    53    56    57   0.26850 -1.0 2.0
   50    53   -56    62  -0.15000  1.0 1.0
   50    53   -56    62   0.89550 -1.0 2.0
   50    53   -56    62  -0.06900  1.0 3.0
   50    53    58    59   7.00000 -1.0 2.0
   50    53    58    60   7.00000 -1.0 2.0
   50    70    72    73   0.00000  1.0 1.0
   50    70    72    74   0.09850  1.0 1.0
   50    70    72    74   0.15250 -1.0 2.0
   50    70    72    74  -0.50650  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   51    50    53    58   0.00000  1.0 1.0
   51    50    70    62   0.23400  1.0 3.0
   51    50    70    71   0.15000  1.0 3.0
   51    50    70    72   0.15000  1.0 3.0
   53    50   -70    62   0.61850  1.0 1.0
   53    50   -70    62  -0.22750 -1.0 2.0
   53    50   -70    62   0.15300  1.0 3.0
   53    50    70    71   0.15000  1.0 3.0
   53    50    70    72   0.31000  1.0 1.0
   53    50    70    72   0.14700 -1.0 2.0
   53    50    70    72   0.07550  1.0 3.0
   53    56   -62    70   2.00000 -1.0 2.0
   56    53    58    59   7.00000 -1.0 2.0
   56    53    58    60   7.00000 -1.0 2.0
   56    62   -70    50  -0.25900  1.0 1.0
   56    62   -70    50  -0.47000 -1.0 2.0
   56    62   -70    50   0.11750  1.0 3.0
   56    62    70    71   0.08050  1.0 3.0
   56    62    70    72  -0.82050  1.0 1.0
   56    62    70    72   0.00600 -1.0 2.0
   56    62    70    72   0.04400  1.0 3.0
   57    56    62    70   3.00000 -1.0 2.0
   62    70    72    73   0.00000  1.0 1.0
   62    70    72    74   0.39000  1.0 1.0
   62    70    72    74  -0.05800 -1.0 2.0
   62    70    72    74  -0.55150  1.0 3.0
   70    50   -53    56   0.09700  1.0 1.0
   70    50   -53    56   0.15600 -1.0 2.0
   70    50   -53    56  -0.50800  1.0 3.0
   70    50    53    58   0.09850  1.0 1.0
   70    50    53    58   0.15250 -1.0 2.0
   70    50    53    58  -0.50650  1.0 3.0
   70    72    74    75   7.00000 -1.0 2.0
   70    72    74    78   7.00000 -1.0 2.0
   71    70    72    73   0.33100  1.0 3.0
   71    70    72    74   0.00000  1.0 1.0
   72    74    75    76   0.00000  1.0 1.0
   72    74    75    77   0.00000  1.0 1.0
   72    74    75    81   0.09850  1.0 1.0
   72    74    75    81   0.15250 -1.0 2.0
   72    74    75    81  -0.50650  1.0 3.0
   72    74    78    79   0.00000  1.0 1.0
   72    74    78    80   0.00000  1.0 1.0
   72    74    78    84   0.39000  1.0 1.0
   72    74    78    84  -0.05800 -1.0 2.0
   72    74    78    84  -0.55150  1.0 3.0
   73    72    74    75   7.00000 -1.0 2.0
   73    72    74    78   7.00000 -1.0 2.0
   74    75    81    82   0.15000  1.0 3.0
   74    75    81    83   0.15000  1.0 3.0
   74    75    81    40   0.34400  1.0 1.0
   74    75    81    40   0.09450 -1.0 2.0
   74    75    81    40   0.11100  1.0 3.0
   74    78    84    42  -0.77900  1.0 1.0
   74    78    84    42  -0.36900 -1.0 2.0
   74    78    84    42   0.40400  1.0 3.0
   75    74    78    79   0.34800  1.0 3.0
   75    74    78    80   0.34800  1.0 3.0
   75    74    78    84   0.09700  1.0 1.0
   75    74    78    84   0.15600 -1.0 2.0
   75    74    78    84  -0.50800  1.0 3.0
   75    81    40    33   0.56750  1.0 1.0
   75    81    40    33  -0.07550 -1.0 2.0
   75    81    40    33   0.20000  1.0 3.0
   75    81    40    41   0.15000  1.0 3.0
   75    81    40    46   0.86500  1.0 1.0
   75    81    40    46  -0.17500 -1.0 2.0
   75    81    40    46   0.20800  1.0 3.0
   76    75    81    82   0.15000  1.0 3.0
   76    75    81    83   0.15000  1.0 3.0
   76    75    81    40   0.15000  1.0 3.0
   77    75    81    82   0.15000  1.0 3.0
   77    75    81    83   0.15000  1.0 3.0
   77    75    81    40   0.15000  1.0 3.0
   81    40    46    47  -0.11600  1.0 1.0
   81    40    46    47  -0.09450 -1.0 2.0
   81    40    46    47   0.21250  1.0 3.0
   82    81    40    33   0.15000  1.0 3.0
   82    81    40    41   0.15000  1.0 3.0
   82    81    40    46   0.23400  1.0 3.0
   83    81    40    33   0.15000  1.0 3.0
   83    81    40    41   0.15000  1.0 3.0
   83    81    40    46   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    42    84   0.62750  1.0 1.0
   40    33    42    84  -0.30950 -1.0 2.0
   40    33    42    84   0.27300  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    48   0.86500  1.0 1.0
   40    33    42    48  -0.17500 -1.0 2.0
   40    33    42    48   0.20800  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   78    74    75    76   0.34800  1.0 3.0
   78    74    75    77   0.34800  1.0 3.0
   78    74    75    81   0.46850  1.0 1.0
   78    74    75    81   0.08550 -1.0 2.0
   78    74    75    81   0.09800  1.0 3.0
   78    84    42    33   0.06250  1.0 1.0
   78    84    42    33  -0.01100 -1.0 2.0
   78    84    42    33   0.28050  1.0 3.0
   78    84    42    43   0.37050  1.0 3.0
   78    84    42    48  -0.70900  1.0 1.0
   78    84    42    48  -1.18000 -1.0 2.0
   78    84    42    48   0.91650  1.0 3.0
   79    78    84    42   0.37050  1.0 3.0
   80    78    84    42   0.37050  1.0 3.0
   84    42    48    49  -0.50000  1.0 1.0
   84    42    48    49  -0.73950 -1.0 2.0
   84    42    48    49   0.17150  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    44   3.97050  1.0 1.0
   42    33    40    81   3.97050  1.0 1.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    46   0.86500  1.0 1.0
   42    33    40    46  -0.17500 -1.0 2.0
   42    33    40    46   0.20800  1.0 3.0
   43    42    48    49   0.19450  1.0 3.0
   58    53    56    57   1.00000 -1.0 2.0
   58    53    56    62  -0.56150  1.0 1.0
   58    53    56    62   2.19150 -1.0 2.0
   52    44    50    51   0.23400  1.0 3.0
   52    44    50    53   0.61850  1.0 1.0
   52    44    50    53  -0.22750 -1.0 2.0
   52    44    50    53   0.15300  1.0 3.0
   52    44    50    70   0.62750  1.0 1.0
   52    44    50    70  -0.30950 -1.0 2.0
   52    44    50    70   0.27300  1.0 3.0
   52    54    61    63  -0.56150  1.0 1.0
   52    54    61    63   2.19150 -1.0 2.0
   52    54    61    66  -0.15000  1.0 1.0
   52    54    61    66   0.89550 -1.0 2.0
   52    54    61    66  -0.06900  1.0 3.0
   54    61    63    64   7.00000 -1.0 2.0
   54    61    63    65   7.00000 -1.0 2.0
   54    61    66    67   0.15000  1.0 3.0
   54    61    66    68   0.15000  1.0 3.0
   54    61    66    69   0.15000  1.0 3.0
   55    54    61    63   1.00000 -1.0 2.0
   55    54    61    66  -0.64400  1.0 1.0
   55    54    61    66   0.26850 -1.0 2.0
   63    61    66    67   0.00000  1.0 1.0
   63    61    66    68   0.00000  1.0 1.0
   63    61    66    69   0.00000  1.0 1.0
   66    61    63    64   7.00000 -1.0 2.0
   66    61    63    65   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   50    56    53    58   1.10000 -1.0 2.0
   53    62    56    57  10.50000 -1.0 2.0
   70    73    72    74   1.10000 -1.0 2.0
   75    78    74    72   1.10000 -1.0 2.0
   59    60    58    53   1.10000 -1.0 2.0
   52    61    54    55  10.50000 -1.0 2.0
   54    66    61    63  15.00000 -1.0 2.0
   64    65    63    61  15.00000 -1.0 2.0
END
